4-[4-[3-(2-methylprop-1-enyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-[3-(2-methylprop-1-enyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-[3-(2-methylprop-1-enyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-[3-(2-methylprop-1-enyl)phenoxy]phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-[3-(2-methylprop-1-enyl)phenoxy]phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-[3-(2-methylprop-1-enyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C20H25O7PS MolecularWeight: 440.447061

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=CC=C1)OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O)C

Isomeric SMILES

CC(=CC1=CC(=CC=C1)OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O)C

InChI

InChI=1S/C20H25O7PS/c1-15(2)13-17-6-3-7-19(14-17)27-18-11-9-16(10-12-18)5-4-8-20(28(21,22)23)29(24,25)26/h3,6-7,9-14,20H,4-5,8H2,1-2H3,(H2,21,22,23)(H,24,25,26)